N-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H17F2N3O2S — CID 167889745

IUPACN-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCC3CCC(F)(F)C3)c(=O)n12
InChIInChI=1S/C15H17F2N3O2S/c1-9-8-23-14-19-7-11(13(22)20(9)14)12(21)18-5-3-10-2-4-15(16,17)6-10/h7-8,10H,2-6H2,1H3,(H,18,21)
InChIKeyXBXLNUOIKIJDBW-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.62
Rot. Bonds4

About N-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 167889745) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID167889745
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC NameN-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCC3CCC(F)(F)C3)c(=O)n12
InChIInChI=1S/C15H17F2N3O2S/c1-9-8-23-14-19-7-11(13(22)20(9)14)12(21)18-5-3-10-2-4-15(16,17)6-10/h7-8,10H,2-6H2,1H3,(H,18,21)
InChIKeyXBXLNUOIKIJDBW-UHFFFAOYSA-N
XLogP2.62
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 167889745) is N-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NCCC3CCC(F)(F)C3)c(=O)n12.
What is the InChIKey of N-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XBXLNUOIKIJDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c1-9-8-23-14-19-7-11(13(22)20(9)14)12(21)18-5-3-10-2-4-15(16,17)6-10/h7-8,10H,2-6H2,1H3,(H,18,21).
What are the key properties of N-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 167889745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).